5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride

C19H25ClN6O — CID 120870598

About 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride

5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120870598) has the molecular formula C19H25ClN6O and a molecular weight of 388.90 g/mol. Its IUPAC name is 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

• Compound Name: 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
• PubChem CID: 120870598
• Molecular Formula: C19H25ClN6O
• Molecular Weight: 388.90 g/mol
• Exact Mass: 388.18
• IUPAC Name: 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
• SMILES: Cc1ccccc1Cc1noc(CN2CCNCC2c2nccn2C)n1.Cl
• InChI: InChI=1S/C19H24N6O.ClH/c1-14-5-3-4-6-15(14)11-17-22-18(26-23-17)13-25-10-7-20-12-16(25)19-21-8-9-24(19)2;/h3-6,8-9,16,20H,7,10-13H2,1-2H3;1H
• InChIKey: ZQFBWMAJIAZEAT-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 72.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.90
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride?

The IUPAC name of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride (CID 120870598) is 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride.

What is the SMILES notation for 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride?

The canonical SMILES for 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride is Cc1ccccc1Cc1noc(CN2CCNCC2c2nccn2C)n1.Cl.

What is the InChIKey of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride?

The InChIKey is ZQFBWMAJIAZEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O.ClH/c1-14-5-3-4-6-15(14)11-17-22-18(26-23-17)13-25-10-7-20-12-16(25)19-21-8-9-24(19)2;/h3-6,8-9,16,20H,7,10-13H2,1-2H3;1H.

What are the key properties of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride?

5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120870598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).